config.cif. Supercell: 1 x 1 x 1
units eV
molecules 1
config.cif. Supercell: 1 x 1 x 1
nummols 1
atoms 3
            Ar     39.948000      0.000000       1    0
             B     10.811000      0.000000       2    0
finish

metal 3
Ar Ar eeam
B B eeam
Ar B eeam
CLOSE
